3-benzyl-3,9-diazaspiro[5.5]undecane

• ChemBase ID: 799731
• Molecular Formular: C16H24N2
• Molecular Mass: 244.37516
• Monoisotopic Mass: 244.19394878
• SMILES: C1CN(CCC21CCNCC2)Cc1ccccc1
• Canonical SMILES: N1CCC2(CC1)CCN(CC2)Cc1ccccc1
• InChI: InChI=1S/C16H24N2/c1-2-4-15(5-3-1)14-18-12-8-16(9-13-18)6-10-17-11-7-16/h1-5,17H,6-14H2
• InChIKey: DKRVXLMWXJFVEJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-benzyl-3,9-diazaspiro[5.5]undecane
• IUPAC Traditional name: 3-benzyl-3,9-diazaspiro[5.5]undecane
• Synonyms: 3-benzyl-3,9-diazaspiro[5.5]undecane

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.1192055
• LogD (pH = 7.4): -1.9781157
• Log P: 2.2121308
• Molar Refractivity: 76.9966 cm^3
• Polarizability: 30.397923 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%